| SpectraBase Compound ID | BCFfyTv6CmX |
|---|---|
| InChI | InChI=1S/C22H28O7/c1-12-16(24)8-22-11-28-20(26)15(22)5-4-6-18(22)21(12,3)9-17(29-13(2)23)14-7-19(25)27-10-14/h5,7,12,16-18,24H,4,6,8-11H2,1-3H3/t12-,16-,17?,18?,21+,22-/m1/s1 |
| InChIKey | IBOOOVLSKDPQGQ-ZYHZKPMKSA-N |
| Mol Weight | 404.46 g/mol |
| Molecular Formula | C22H28O7 |
| Exact Mass | 404.183503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KEL2fbyjfx3 |
|---|---|
| Name | 12-Acetoxy-7.beta.-hydroxy-3,13(14)-clerodanediene-18,19 ; 15,16-diolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O7 |
| InChI | InChI=1S/C22H28O7/c1-12-16(24)8-22-11-28-20(26)15(22)5-4-6-18(22)21(12,3)9-17(29-13(2)23)14-7-19(25)27-10-14/h5,7,12,16-18,24H,4,6,8-11H2,1-3H3/t12-,16-,17?,18?,21+,22-/m1/s1 |
| InChIKey | IBOOOVLSKDPQGQ-ZYHZKPMKSA-N |
| Molecular Weight | 404.459 g/mol |
| SMILES | O[C@]1([C@@](C)([C@@](C2[C@]3(C(C(=O)OC3)=CCC2)C1)(CC(C1=CC(=O)OC1)OC(=O)C)C)[H])[H] |
| SPLASH | splash10-002f-9533000000-c684b7d2cb55aac99936 |
| Source of Spectrum | OL-17-47-8 |
| Wiley ID | 1611989 |